⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9410113 | 0.74 | — | — | |
| SCHEMBL23136273 | 0.69 | — | — | |
| SCHEMBL4666022 | 0.69 | — | — | |
| SCHEMBL10022032 | 0.69 | — | — | |
| SCHEMBL10829945 | 0.67 | — | — | |
| SCHEMBL4666118 | 0.67 | — | — | |
| SCHEMBL28394194 | 0.65 | CA1 (0.56) | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL28170893 | 0.65 | CA1 (0.56) | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL1769 | 0.65 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL2296 | 0.63 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080280052-A1 | Process for Printing Textile Fibre Materials in Accordance with the Ink-Jet Printing Process | HUNTSMAN INTERNATIONAL LLC | 2008-11-13 | — | — | US | disclosed |
| US-20070226919-A1 | Method for Dyeing or Printing Textile Materials | HUNTSMAN INTERNATIONAL LLC (US) | 2007-10-04 | — | — | US | disclosed |